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{
"id": "mp-686175",
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"structure_string": "Si4 Bi60 O100\n1.0\n15.372633 -7.245835 0.000000\n15.372633 7.245835 0.000000\n11.957334 0.000000 12.076511\nSi Bi O\n4 60 100\ndirect\n0.799669 0.799669 0.799669 Si\n0.600152 0.600152 0.600152 Si\n0.400011 0.400011 0.400011 Si\n0.200278 0.200278 0.200278 Si\n0.911527 0.719621 0.575024 Bi\n0.970271 0.798954 0.282894 Bi\n0.815533 0.511984 0.677259 Bi\n0.893903 0.560646 0.395477 Bi\n0.921074 0.787056 0.099409 Bi\n0.811557 0.311029 0.616728 Bi\n0.995997 0.496532 0.159500 Bi\n0.712758 0.519267 0.377982 Bi\n0.872668 0.015951 0.712794 Bi\n0.916107 0.213965 0.406838 Bi\n0.757307 0.599265 0.091768 Bi\n0.978492 0.311511 0.116367 Bi\n0.616624 0.314202 0.474428 Bi\n0.816421 0.009539 0.509573 Bi\n0.691344 0.360024 0.200544 Bi\n0.719621 0.575024 0.911527 Bi\n0.905932 0.077741 0.210996 Bi\n0.605336 0.113970 0.417581 Bi\n0.798954 0.282894 0.970271 Bi\n0.509637 0.321707 0.177962 Bi\n0.677259 0.815533 0.511984 Bi\n0.718558 0.024174 0.202468 Bi\n0.560646 0.395477 0.893903 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"elements": [
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"chemical_system": "Bi-O-Si",
"density": 8.796086501160554,
"density_atomic": 0.06095869650208622,
"volume": 2690.3462411534233,
"volume_molar": 9.879051071562694,
"formula_full": "Si4 Bi60 O100",
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"formula_anonymous": "AB15C25",
"energy": -1032.74971315,
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"updated_at": "2021-11-28T01:35:03.849000Z",
"spacegroup": 146
},
{
"id": "mp-680314",
"created_at": "2022-09-04T14:40:17.801834Z",
"structure_string": "Rb56 Si24 Ge16 O68\n1.0\n8.014088 0.000000 0.000000\n0.000000 14.742058 0.000000\n0.000000 7.001598 32.335415\nRb Si Ge O\n56 24 16 68\ndirect\n0.514467 0.951464 0.891598 Rb\n0.862103 0.299061 0.639855 Rb\n0.864839 0.643665 0.471183 Rb\n0.447163 0.447047 0.888938 Rb\n0.947568 0.795583 0.757411 Rb\n0.014467 0.548536 0.608402 Rb\n0.948469 0.320676 0.883062 Rb\n0.010193 0.294367 0.757870 Rb\n0.636476 0.073742 0.215321 Rb\n0.137897 0.700939 0.360145 Rb\n0.485533 0.048536 0.108402 Rb\n0.457620 0.949464 0.567303 Rb\n0.042380 0.449464 0.067303 Rb\n0.051531 0.679324 0.116938 Rb\n0.531035 0.677826 0.629419 Rb\n0.551531 0.820676 0.383062 Rb\n0.448469 0.179324 0.616938 Rb\n0.052432 0.204417 0.242589 Rb\n0.552837 0.552953 0.111062 Rb\n0.988455 0.008179 0.932743 Rb\n0.511545 0.508179 0.432743 Rb\n0.510193 0.205633 0.742130 Rb\n0.468965 0.322174 0.370581 Rb\n0.957620 0.550536 0.932697 Rb\n0.902483 0.921348 0.287303 Rb\n0.863524 0.573742 0.715321 Rb\n0.098837 0.790998 0.644918 Rb\n0.363524 0.926258 0.784679 Rb\n0.901163 0.209002 0.355082 Rb\n0.635161 0.143665 0.971183 Rb\n0.489807 0.794367 0.257870 Rb\n0.598837 0.709002 0.855082 Rb\n0.401163 0.290998 0.144918 Rb\n0.130490 0.124066 0.466179 Rb\n0.989807 0.705633 0.242130 Rb\n0.135161 0.356335 0.528817 Rb\n0.136476 0.426258 0.284679 Rb\n0.542380 0.050536 0.432697 Rb\n0.011545 0.991821 0.067257 Rb\n0.447568 0.704417 0.742589 Rb\n0.869510 0.875934 0.533821 Rb\n0.097517 0.078652 0.712697 Rb\n0.488455 0.491821 0.567257 Rb\n0.402483 0.578652 0.212697 Rb\n0.985533 0.451464 0.391598 Rb\n0.052837 0.947047 0.388938 Rb\n0.947163 0.052953 0.611062 Rb\n0.630490 0.375934 0.033821 Rb\n0.369510 0.624066 0.966179 Rb\n0.362103 0.200939 0.860145 Rb\n0.597517 0.421348 0.787303 Rb\n0.364839 0.856335 0.028817 Rb\n0.637897 0.799061 0.139855 Rb\n0.552432 0.295583 0.257411 Rb\n0.031035 0.822174 0.870581 Rb\n0.968965 0.177826 0.129419 Rb\n0.857642 0.560708 0.825999 Si\n0.642358 0.060708 0.325999 Si\n0.896196 0.935355 0.176086 Si\n0.396196 0.564645 0.323914 Si\n0.227537 0.013385 0.201897 Si\n0.738314 0.646726 0.345508 Si\n0.142358 0.439292 0.174001 Si\n0.293150 0.145228 0.340229 Si\n0.272463 0.513385 0.701897 Si\n0.317738 0.974314 0.300913 Si\n0.603804 0.435355 0.676086 Si\n0.261686 0.353274 0.654492 Si\n0.182262 0.474314 0.800913 Si\n0.206850 0.645228 0.840229 Si\n0.682262 0.025686 0.699087 Si\n0.238314 0.853274 0.154492 Si\n0.817738 0.525686 0.199087 Si\n0.706850 0.854772 0.659771 Si\n0.727537 0.486615 0.298103 Si\n0.103804 0.064645 0.823914 Si\n0.761686 0.146726 0.845508 Si\n0.357642 0.939292 0.674001 Si\n0.793150 0.354772 0.159771 Si\n0.772463 0.986615 0.798103 Si\n0.287544 0.677282 0.473982 Ge\n0.766990 0.647314 0.021460 Ge\n0.475556 0.247424 0.491607 Ge\n0.787544 0.822718 0.026018 Ge\n0.735707 0.774383 0.955300 Ge\n0.764293 0.274383 0.455300 Ge\n0.266990 0.852686 0.478540 Ge\n0.235707 0.725617 0.544700 Ge\n0.024444 0.747424 0.991607 Ge\n0.975556 0.252576 0.008393 Ge\n0.712456 0.322718 0.526018 Ge\n0.733010 0.147314 0.521460 Ge\n0.264293 0.225617 0.044700 Ge\n0.212456 0.177282 0.973982 Ge\n0.233010 0.352686 0.978540 Ge\n0.524444 0.752576 0.508393 Ge\n0.765301 0.116107 0.290808 O\n0.504361 0.136546 0.339678 O\n0.295716 0.751510 0.178514 O\n0.772088 0.500893 0.867439 O\n0.778627 0.875449 0.211322 O\n0.204284 0.251510 0.678514 O\n0.761317 0.753184 0.684954 O\n0.276710 0.979509 0.251494 O\n0.479006 0.504134 0.699386 O\n0.813904 0.566340 0.319958 O\n0.695096 0.502068 0.637239 O\n0.723290 0.020491 0.748506 O\n0.227912 0.499107 0.132561 O\n0.278627 0.624551 0.288678 O\n0.751958 0.622114 0.171618 O\n0.976978 0.487518 0.803900 O\n0.313904 0.933660 0.180042 O\n0.726055 0.383117 0.112666 O\n0.971343 0.136097 0.842192 O\n0.748042 0.122114 0.671618 O\n0.261317 0.746816 0.815046 O\n0.792785 0.383907 0.317770 O\n0.776710 0.520491 0.248506 O\n0.265301 0.383893 0.209192 O\n0.523022 0.987518 0.303900 O\n0.251958 0.877886 0.328382 O\n0.234699 0.883893 0.709192 O\n0.248042 0.377886 0.828382 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O\n0.207215 0.616093 0.682230 O\n0.221373 0.124551 0.788678 O\n0.023022 0.512482 0.196100 O\n0.195096 0.997932 0.862761 O\n0.020994 0.004134 0.199386 O\n0.721373 0.375449 0.711322 O\n0.773945 0.883117 0.612666 O\n",
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"elements": [
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],
"chemical_system": "Ge-O-Rb-Si",
"density": 3.3514909299702347,
"density_atomic": 0.04292923865735822,
"volume": 3820.2401237295144,
"volume_molar": 14.028063269572531,
"formula_full": "Rb56 Si24 Ge16 O68",
"formula_reduced": "Rb14Si6Ge4O17",
"formula_anonymous": "A4B6C14D17",
"energy": -959.29854553,
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"energy_uncorrected": -912.58254553,
"band_gap": 1.1925,
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"total_magnetization": 0.0079801,
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"updated_at": "2021-11-28T01:34:56.798000Z",
"spacegroup": 14
},
{
"id": "mp-685318",
"created_at": "2022-09-04T14:39:59.342466Z",
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}